SCHEMBL2117619

SCHEMBL2117619

Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N3CCNC(=O)C3)nc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.37
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
DPP4 P27487 3/20 0.33
OPRK1 P41145 6/20 0.33
IDH1 O75874 5/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
LRRK2 Q5S007 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GRIA1 P42261 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2117633 1.00 SOS1 (0.37) SOS1PIK3CDPIK3R1DPP4OPRK1
SCHEMBL2117074 0.88 SOS1 (0.37) SOS1OPRK1TLR8TLR7LRRK2
SCHEMBL2117064 0.88 SOS1 (0.37) SOS1OPRK1TLR8TLR7LRRK2
SCHEMBL2115344 0.87 OPRK1 (0.38) PIK3CDPIK3R1DPP4OPRK1KDM4E
SCHEMBL2115342 0.87 OPRK1 (0.38) PIK3CDPIK3R1DPP4OPRK1KDM4E
SCHEMBL2117051 0.86 SOS1 (0.36) SOS1DPP4OPRK1
SCHEMBL2117066 0.86 SOS1 (0.36) SOS1DPP4OPRK1
SCHEMBL2113571 0.85 DPP4 (0.36) SOS1PIK3CDPIK3R1DPP4OPRK1
SCHEMBL2113563 0.85 DPP4 (0.36) SOS1PIK3CDPIK3R1DPP4OPRK1
SCHEMBL2115954 0.85 SOS1 (0.37) SOS1OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA SOS1 1776/4885PIK3CD 6/4885PIK3R1 85/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.